#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6r s ASN 2 N 0.00 -0.55 0.09 3.17 2.47 -1.26 -5.11 114.94 113.75 1t6r s ASN 2 Ca 0.00 0.83 0.00 0.00 0.42 0.00 0.00 52.86 54.11 1t6r s ASN 2 Cb 0.00 0.77 0.00 0.00 -1.45 0.00 0.00 41.25 40.57 1t6r s ASN 2 CO 0.00 -0.34 0.00 -3.20 -3.72 0.00 0.00 177.10 169.84 1t6r n ASN 3 N 1.58 -0.46 -4.77 -4.21 5.15 -1.26 -5.11 115.26 106.18 1t6r n ASN 3 Ca -0.14 0.17 -0.37 0.00 -0.60 0.00 0.00 54.58 53.64 1t6r n ASN 3 Cb 0.56 0.61 -0.01 0.00 -0.53 0.00 0.00 39.78 40.42 1t6r n ASN 3 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1t6r s LEU 4 N -5.50 4.04 0.22 1.20 0.20 -1.26 -4.84 118.68 112.74 1t6r s LEU 4 Ca 0.00 2.37 0.00 0.00 0.69 0.00 0.00 54.13 57.19 1t6r s LEU 4 Cb 0.00 -4.19 -0.04 0.00 -0.43 0.00 0.00 46.19 41.53 1t6r s LEU 4 CO 0.00 -0.93 0.17 -0.54 -0.29 0.00 0.00 176.35 174.76 1t6r s LYS 5 N -2.63 1.31 -0.13 1.98 -0.14 0.46 -5.01 119.74 115.58 1t6r s LYS 5 Ca 0.63 -1.69 -0.06 0.00 -1.36 0.00 0.00 55.97 53.50 1t6r s LYS 5 Cb -0.30 0.29 0.06 0.00 -1.68 0.00 0.00 37.83 36.19 1t6r s LYS 5 CO 0.37 -0.44 0.28 -0.51 -0.76 0.00 0.00 175.35 174.29 1t6r s LEU 6 N -3.19 0.02 -0.68 3.17 1.43 -1.26 -0.76 118.68 117.41 1t6r s LEU 6 Ca 0.39 0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 54.09 1t6r s LEU 6 Cb 0.06 0.84 0.17 0.00 0.03 0.00 0.00 46.19 47.30 1t6r s LEU 6 CO 0.15 -0.20 0.51 -0.62 0.23 0.00 0.00 176.35 176.41 1t6r s ASP 7 N 1.79 5.36 -0.26 2.29 2.15 -0.01 -4.91 116.67 123.08 1t6r s ASP 7 Ca -0.05 -3.05 -0.29 0.00 0.43 0.00 0.00 52.55 49.59 1t6r s ASP 7 Cb -0.11 -1.86 0.01 0.00 -0.30 0.00 0.00 42.92 40.66 1t6r s ASP 7 CO -0.09 -0.33 1.12 -0.63 -0.17 0.00 0.00 175.17 175.07 1t6r s ILE 8 N -0.35 4.50 0.02 4.11 1.01 -1.26 -1.03 121.20 128.20 1t6r s ILE 8 Ca 0.19 1.77 0.04 0.00 0.00 0.00 0.00 60.65 62.65 1t6r s ILE 8 Cb -0.17 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.00 1t6r s ILE 8 CO -0.05 -0.31 -0.13 -0.69 0.00 0.00 0.00 174.94 173.76 1t6r s VAL 9 N 3.53 1.01 0.00 2.92 1.01 0.51 -5.00 120.40 124.38 1t6r s VAL 9 Ca 0.48 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1t6r s VAL 9 Cb -0.15 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1t6r s VAL 9 CO 0.12 0.07 0.00 -0.62 0.00 0.00 0.00 175.10 174.68 1t6r n GLU 10 N 2.19 0.00 -0.69 2.72 4.71 -1.26 -0.73 120.64 127.59 1t6r n GLU 10 Ca -0.17 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.08 1t6r n GLU 10 Cb 0.55 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.96 1t6r n GLU 10 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1t6r n GLN 11 N 0.00 -1.38 0.00 3.49 6.02 -1.26 -4.75 117.38 119.51 1t6r n GLN 11 Ca 0.00 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 1t6r n GLN 11 Cb 0.00 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.58 1t6r n GLN 11 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1t6r n ASP 12 N -3.98 0.00 0.00 1.08 8.00 -1.26 -3.16 116.55 117.24 1t6r n ASP 12 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1t6r n ASP 12 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1t6r n ASP 12 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1t6r n ASP 13 N 1.99 0.00 -4.88 -2.24 5.68 -1.26 -5.12 116.55 110.72 1t6r n ASP 13 Ca 0.00 -0.81 -0.30 0.00 -0.50 0.00 0.00 54.79 53.17 1t6r n ASP 13 Cb 0.00 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 39.99 1t6r n ASP 13 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1t6r s LYS 14 N 0.00 3.58 -0.18 0.11 2.20 -1.19 -4.66 119.74 119.60 1t6r s LYS 14 Ca 0.00 0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 56.24 1t6r s LYS 14 Cb 0.00 -2.13 -0.01 0.00 -1.51 0.00 0.00 37.83 34.18 1t6r s LYS 14 CO 0.00 -0.51 -0.10 0.00 -0.36 0.00 0.00 175.35 174.38 1t6r s ALA 15 N -3.11 2.66 -0.05 3.13 0.00 -0.85 -4.09 121.76 119.45 1t6r s ALA 15 Ca 0.54 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1t6r s ALA 15 Cb -0.11 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1t6r s ALA 15 CO 0.52 -0.19 -0.16 0.42 0.00 0.00 0.00 175.76 176.35 1t6r s ILE 16 N 1.07 1.39 -0.20 0.00 1.01 0.09 -0.50 121.20 124.06 1t6r s ILE 16 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 1t6r s ILE 16 Cb -0.15 -1.21 0.05 0.00 0.01 0.00 0.00 42.46 41.17 1t6r s ILE 16 CO -0.02 0.40 -0.04 0.54 0.00 0.00 0.00 174.94 175.82 1t6r s VAL 17 N 0.18 1.19 -0.80 2.92 0.11 -0.86 -0.36 120.40 122.78 1t6r s VAL 17 Ca -0.07 -0.86 -0.26 0.00 -2.93 0.00 0.00 61.98 57.87 1t6r s VAL 17 Cb -0.13 -1.45 0.02 0.00 -1.53 0.00 0.00 36.38 33.30 1t6r s VAL 17 CO 0.03 -0.02 1.42 -0.13 -3.33 0.00 0.00 175.10 173.08 1t6r s ARG 18 N 1.57 3.18 0.44 1.54 0.52 -0.20 -1.11 118.95 124.90 1t6r s ARG 18 Ca -0.02 -0.34 -0.25 0.00 -0.52 0.00 0.00 55.73 54.59 1t6r s ARG 18 Cb -0.17 -4.52 -0.09 0.00 0.52 0.00 0.00 34.95 30.69 1t6r s ARG 18 CO -0.07 -2.30 1.40 0.28 0.02 0.00 0.00 175.30 174.64 1t6r n VAL 19 N 6.68 2.72 -3.62 3.52 0.31 -0.76 -0.83 118.33 126.35 1t6r n VAL 19 Ca 0.14 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.70 1t6r n VAL 19 Cb 0.50 -1.80 -0.16 0.00 -0.91 0.00 0.00 33.84 31.47 1t6r n VAL 19 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1t6r s GLN 20 N -2.38 0.22 0.00 5.55 -0.21 0.06 -4.29 119.66 118.60 1t6r s GLN 20 Ca 0.61 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.68 1t6r s GLN 20 Cb -0.46 -1.69 0.00 0.00 1.00 0.00 0.00 33.01 31.85 1t6r s GLN 20 CO 0.58 -0.78 0.00 0.41 -2.12 0.00 0.00 175.29 173.38 1t6r n GLY 21 N 5.21 1.02 3.79 3.09 0.00 -1.26 -0.40 105.19 116.64 1t6r n GLY 21 Ca -0.07 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 1t6r n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t6r s ASP 22 N -0.84 4.32 -0.24 1.61 1.01 -1.26 -3.56 116.67 117.70 1t6r s ASP 22 Ca 0.00 -1.40 -0.03 0.00 0.71 0.00 0.00 52.55 51.83 1t6r s ASP 22 Cb 0.00 0.22 0.08 0.00 1.01 0.00 0.00 42.92 44.23 1t6r s ASP 22 CO 0.00 -0.84 0.09 -0.63 0.21 0.00 0.00 175.17 174.01 1t6r s ILE 23 N -2.78 0.23 0.00 0.77 1.01 -0.42 -4.70 121.20 115.31 1t6r s ILE 23 Ca 0.23 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1t6r s ILE 23 Cb 0.02 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1t6r s ILE 23 CO 0.13 -0.49 0.00 -0.90 0.00 0.00 0.00 174.94 173.69 1t6r n ASP 24 N 5.14 0.23 0.07 3.58 5.75 -1.26 -0.58 116.55 129.47 1t6r n ASP 24 Ca -0.06 -0.59 0.08 0.00 -0.01 0.00 0.00 54.79 54.21 1t6r n ASP 24 Cb 0.45 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 40.88 1t6r n ASP 24 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1t6r n ALA 25 N -3.00 1.39 0.09 2.12 0.00 -1.26 0.24 120.51 120.10 1t6r n ALA 25 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 1t6r n ALA 25 Cb 0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 1t6r n ALA 25 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1t6r h TYR 26 N 0.00 0.62 0.00 0.00 0.05 -1.98 -3.39 116.97 112.28 1t6r h TYR 26 Ca 0.00 -0.40 -0.14 0.00 0.05 0.00 0.00 58.73 58.24 1t6r h TYR 26 Cb 0.18 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 1t6r h TYR 26 CO 0.00 1.27 -1.53 0.09 -1.05 0.00 0.00 178.16 176.94 1t6r n ASN 27 N -3.65 3.11 -0.33 3.88 3.02 -0.62 -4.28 115.26 116.39 1t6r n ASN 27 Ca -0.09 -0.04 0.06 0.00 -0.03 0.00 0.00 54.58 54.48 1t6r n ASN 27 Cb 0.95 -0.16 0.25 0.00 -0.61 0.00 0.00 39.78 40.22 1t6r n ASN 27 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1t6r h SER 28 N -0.02 0.90 -0.90 6.41 4.64 -0.48 0.40 113.55 124.50 1t6r h SER 28 Ca -0.21 0.03 0.26 0.00 -0.47 0.00 0.00 61.79 61.39 1t6r h SER 28 Cb 1.32 -0.16 -0.17 0.00 -0.31 0.00 0.00 62.40 63.08 1t6r h SER 28 CO -0.04 0.53 0.05 -1.20 -0.87 0.00 0.00 176.83 175.30 1t6r n SER 29 N -4.55 -0.07 -0.12 4.97 7.64 -1.26 -0.03 113.62 120.20 1t6r n SER 29 Ca 0.16 1.52 -0.22 0.00 1.01 0.00 0.00 58.87 61.35 1t6r n SER 29 Cb 0.29 -0.57 -0.12 0.00 -1.01 0.00 0.00 64.21 62.80 1t6r n SER 29 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1t6r n GLU 30 N -5.30 0.64 0.10 1.43 -0.58 0.32 -3.93 120.64 113.31 1t6r n GLU 30 Ca 0.22 0.22 0.20 0.00 -0.42 0.00 0.00 57.16 57.37 1t6r n GLU 30 Cb 0.73 -1.54 0.75 0.00 -0.57 0.00 0.00 31.44 30.81 1t6r n GLU 30 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1t6r h LEU 31 N -0.35 0.00 0.29 -4.62 6.46 -0.29 -1.35 115.31 115.46 1t6r h LEU 31 Ca -0.59 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.15 1t6r h LEU 31 Cb 1.80 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.73 1t6r h LEU 31 CO -0.18 0.00 -0.14 0.50 -0.62 0.00 0.00 178.44 178.00 1t6r h LYS 32 N 0.00 -0.38 0.00 1.25 3.64 -0.62 -2.74 116.57 117.72 1t6r h LYS 32 Ca 0.18 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1t6r h LYS 32 Cb 0.95 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1t6r h LYS 32 CO -0.00 -0.25 -0.02 1.05 -2.27 0.00 0.00 179.45 177.95 1t6r h GLU 33 N -0.55 0.00 0.15 1.90 4.11 -1.41 0.13 114.58 118.91 1t6r h GLU 33 Ca -0.04 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.05 1t6r h GLU 33 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1t6r h GLU 33 CO 0.07 0.02 -1.71 1.96 0.07 0.00 0.00 179.01 179.42 1t6r h GLN 34 N 0.00 0.32 -0.55 1.06 4.20 -1.42 -2.31 115.11 116.41 1t6r h GLN 34 Ca -0.00 -0.55 -0.02 0.00 0.06 0.00 0.00 58.65 58.14 1t6r h GLN 34 Cb 0.30 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1t6r h GLN 34 CO 0.00 1.21 0.27 -0.07 -0.67 0.00 0.00 178.83 179.58 1t6r h LEU 35 N 0.09 0.72 -1.44 1.46 -0.00 -1.01 0.18 115.31 115.30 1t6r h LEU 35 Ca -0.32 -0.12 0.05 0.00 -0.00 0.00 0.00 57.88 57.49 1t6r h LEU 35 Cb 2.06 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 42.50 1t6r h LEU 35 CO 0.16 0.64 0.43 -0.09 -0.00 0.00 0.00 178.44 179.58 1t6r h ARG 36 N 0.75 0.67 0.59 1.13 1.12 -0.86 -1.29 114.38 116.49 1t6r h ARG 36 Ca 0.19 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.99 1t6r h ARG 36 Cb 0.11 -0.15 0.01 0.00 -0.01 0.00 0.00 29.97 29.92 1t6r h ARG 36 CO -0.03 0.44 -0.28 -0.97 -3.11 0.00 0.00 179.97 176.02 1t6r h ASN 37 N 0.69 -0.67 -0.82 -3.80 -0.73 -0.98 -3.33 115.58 105.94 1t6r h ASN 37 Ca 0.28 0.02 0.20 0.00 1.87 0.00 0.00 56.30 58.67 1t6r h ASN 37 Cb 0.22 0.17 -0.13 0.00 0.27 0.00 0.00 38.32 38.85 1t6r h ASN 37 CO -0.08 -0.30 0.24 0.15 -0.37 0.00 0.00 177.43 177.06 1t6r h PHE 38 N -1.16 0.37 0.00 0.67 3.57 -0.13 0.20 116.94 120.46 1t6r h PHE 38 Ca -0.08 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1t6r h PHE 38 Cb 0.61 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1t6r h PHE 38 CO 0.01 -0.13 -0.14 0.82 -2.23 0.00 0.00 178.31 176.64 1t6r h ILE 39 N 0.27 0.33 -0.05 1.41 2.04 -1.42 0.82 117.51 120.92 1t6r h ILE 39 Ca 0.49 -0.97 -0.15 0.00 1.00 0.00 0.00 64.86 65.23 1t6r h ILE 39 Cb 0.92 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1t6r h ILE 39 CO -0.57 0.14 -0.63 -1.28 0.00 0.00 0.00 178.15 175.80 1t6r h SER 40 N 0.00 0.21 1.21 1.72 0.87 -0.74 -3.36 113.55 113.47 1t6r h SER 40 Ca -0.00 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 1t6r h SER 40 Cb 0.73 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1t6r h SER 40 CO 0.02 0.79 -0.80 0.74 -0.53 0.00 0.00 176.83 177.05 1t6r h THR 41 N 0.13 0.07 -3.58 2.23 2.02 -0.07 -3.46 112.91 110.25 1t6r h THR 41 Ca -0.01 -1.12 -0.63 0.00 0.77 0.00 0.00 66.41 65.43 1t6r h THR 41 Cb 1.15 1.68 -0.13 0.00 -1.74 0.00 0.00 68.15 69.11 1t6r h THR 41 CO 0.09 0.04 0.38 0.28 0.37 0.00 0.00 175.52 176.68 1t6r s THR 42 N -3.28 4.62 -1.74 3.16 -1.32 -0.38 -4.92 115.64 111.77 1t6r s THR 42 Ca 0.01 0.41 0.14 0.00 -1.21 0.00 0.00 61.69 61.04 1t6r s THR 42 Cb 0.08 -4.35 0.33 0.00 -1.51 0.00 0.00 72.50 67.05 1t6r s THR 42 CO 0.76 -0.77 1.30 -1.20 -2.21 0.00 0.00 174.62 172.51 1t6r n SER 43 N 6.80 0.00 -4.70 8.08 7.64 -1.26 -4.69 113.62 125.49 1t6r n SER 43 Ca 0.02 -0.20 -0.38 0.00 1.01 0.00 0.00 58.87 59.32 1t6r n SER 43 Cb 0.48 -0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.49 1t6r n SER 43 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1t6r s LYS 44 N -2.26 4.27 0.00 1.43 -0.14 -1.26 -4.96 119.74 116.81 1t6r s LYS 44 Ca 0.17 0.30 0.24 0.00 -1.36 0.00 0.00 55.97 55.33 1t6r s LYS 44 Cb 0.09 -3.47 1.18 0.00 -1.68 0.00 0.00 37.83 33.95 1t6r s LYS 44 CO 0.18 0.09 1.79 1.63 -0.76 0.00 0.00 175.35 178.29 1t6r n LYS 45 N 3.97 0.28 -3.96 1.68 4.01 -1.26 -4.63 118.16 118.25 1t6r n LYS 45 Ca -0.08 0.07 -0.35 0.00 -0.51 0.00 0.00 58.31 57.44 1t6r n LYS 45 Cb 0.51 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 33.39 1t6r n LYS 45 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1t6r s LYS 46 N -2.65 3.28 -0.12 1.97 0.00 -1.26 -0.80 119.74 120.16 1t6r s LYS 46 Ca 0.21 -0.68 0.03 0.00 0.00 0.00 0.00 55.97 55.53 1t6r s LYS 46 Cb 0.16 -2.90 0.00 0.00 0.00 0.00 0.00 37.83 35.09 1t6r s LYS 46 CO 0.38 -0.20 -0.23 0.42 0.00 0.00 0.00 175.35 175.72 1t6r s ILE 47 N 1.43 2.10 -0.36 3.79 1.09 -0.24 -2.00 121.20 127.01 1t6r s ILE 47 Ca 0.06 -0.99 0.01 0.00 -1.10 0.00 0.00 60.65 58.63 1t6r s ILE 47 Cb -0.14 -1.82 0.11 0.00 -1.06 0.00 0.00 42.46 39.55 1t6r s ILE 47 CO -0.06 0.55 0.13 -0.69 -0.10 0.00 0.00 174.94 174.77 1t6r s VAL 48 N 0.51 1.48 -0.69 2.92 1.01 0.34 -0.87 120.40 125.09 1t6r s VAL 48 Ca -0.14 -2.02 -0.27 0.00 0.00 0.00 0.00 61.98 59.54 1t6r s VAL 48 Cb -0.17 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.16 1t6r s VAL 48 CO 0.05 -0.71 1.26 -0.22 0.00 0.00 0.00 175.10 175.48 1t6r s LEU 49 N 1.03 3.25 -0.26 3.92 2.96 -0.15 -2.02 118.68 127.42 1t6r s LEU 49 Ca 0.12 -0.26 -0.27 0.00 -0.22 0.00 0.00 54.13 53.50 1t6r s LEU 49 Cb -0.20 -2.75 0.01 0.00 0.50 0.00 0.00 46.19 43.75 1t6r s LEU 49 CO -0.13 -1.74 0.97 -0.62 -1.32 0.00 0.00 176.35 173.51 1t6r s ASP 50 N 3.56 6.95 -0.13 3.68 -1.08 -0.26 -0.46 116.67 128.93 1t6r s ASP 50 Ca 0.38 1.13 0.16 0.00 -0.52 0.00 0.00 52.55 53.70 1t6r s ASP 50 Cb -0.08 -2.50 0.59 0.00 -1.46 0.00 0.00 42.92 39.47 1t6r s ASP 50 CO 0.18 -0.68 1.51 0.18 0.52 0.00 0.00 175.17 176.88 1t6r n LEU 51 N 6.37 4.24 0.32 -1.34 4.77 0.07 -1.83 117.00 129.60 1t6r n LEU 51 Ca 0.10 -2.60 0.20 0.00 -0.03 0.00 0.00 56.01 53.68 1t6r n LEU 51 Cb 0.47 -0.51 1.08 0.00 -2.33 0.00 0.00 43.42 42.13 1t6r n LEU 51 CO 0.52 0.73 1.13 -1.28 -1.33 0.00 0.00 177.39 177.17 1t6r h SER 52 N 2.94 0.00 0.08 -1.43 0.87 -1.71 -1.92 113.55 112.38 1t6r h SER 52 Ca 0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 1t6r h SER 52 Cb 1.37 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.30 1t6r h SER 52 CO 0.21 0.00 -2.02 -0.24 -0.53 0.00 0.00 176.83 174.26 1t6r n SER 53 N -2.94 2.06 -4.63 6.23 2.88 -1.26 -4.93 113.62 111.02 1t6r n SER 53 Ca -0.03 0.18 -0.43 0.00 -1.33 0.00 0.00 58.87 57.27 1t6r n SER 53 Cb 0.12 -0.79 -0.03 0.00 -0.75 0.00 0.00 64.21 62.76 1t6r n SER 53 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1t6r s VAL 54 N -2.52 3.32 -0.61 2.46 1.01 -0.72 -4.78 120.40 118.55 1t6r s VAL 54 Ca -0.26 0.36 0.22 0.00 0.00 0.00 0.00 61.98 62.30 1t6r s VAL 54 Cb 0.07 -3.31 -0.16 0.00 0.00 0.00 0.00 36.38 32.98 1t6r s VAL 54 CO 0.70 -0.12 0.94 -1.20 0.00 0.00 0.00 175.10 175.42 1t6r n SER 55 N 8.96 0.60 -3.70 3.32 7.64 -1.26 -4.59 113.62 124.59 1t6r n SER 55 Ca 0.22 -0.33 -0.13 0.00 1.01 0.00 0.00 58.87 59.64 1t6r n SER 55 Cb 0.44 0.98 -0.09 0.00 -1.01 0.00 0.00 64.21 64.53 1t6r n SER 55 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1t6r s TYR 56 N -3.20 -0.55 -0.06 1.43 6.14 -1.26 -4.59 117.35 115.25 1t6r s TYR 56 Ca 0.03 1.34 -0.02 0.00 0.64 0.00 0.00 57.07 59.06 1t6r s TYR 56 Cb 0.15 0.19 0.03 0.00 0.42 0.00 0.00 41.96 42.75 1t6r s TYR 56 CO 0.83 -0.28 0.04 1.41 0.64 0.00 0.00 175.55 178.20 1t6r s MET 57 N 0.22 0.14 0.00 4.97 1.75 -1.24 -1.31 119.30 123.83 1t6r s MET 57 Ca -0.00 0.26 0.00 0.00 -1.25 0.00 0.00 55.69 54.69 1t6r s MET 57 Cb -0.04 -0.75 0.00 0.00 2.84 0.00 0.00 34.83 36.88 1t6r s MET 57 CO 0.01 -0.35 0.00 -3.47 -0.65 0.00 0.00 175.02 170.56 1t6r n ASP 58 N 5.25 0.00 0.00 1.11 2.03 0.25 -4.86 116.55 120.33 1t6r n ASP 58 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1t6r n ASP 58 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1t6r n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t6r n ALA 60 N -3.00 0.00 -0.13 -1.67 0.00 -1.26 -1.83 120.51 112.62 1t6r n ALA 60 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1t6r n ALA 60 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1t6r n ALA 60 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1t6r h GLY 61 N 0.00 0.68 0.96 0.00 0.00 -1.86 -2.00 103.07 100.85 1t6r h GLY 61 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1t6r h GLY 61 CO 0.00 0.42 -0.08 1.41 0.00 0.00 0.00 176.54 178.29 1t6r h LEU 62 N 0.47 -0.21 -1.69 3.11 3.38 -1.69 -2.42 115.31 116.25 1t6r h LEU 62 Ca 0.11 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1t6r h LEU 62 Cb 0.38 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1t6r h LEU 62 CO 0.01 -0.14 -0.19 1.23 0.09 0.00 0.00 178.44 179.44 1t6r h GLY 63 N -0.22 0.00 0.94 0.83 0.00 -1.84 -2.01 103.07 100.77 1t6r h GLY 63 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1t6r h GLY 63 CO 0.01 0.00 0.20 -0.84 0.00 0.00 0.00 176.54 175.92 1t6r h THR 64 N 0.00 1.05 -0.44 4.70 2.02 -0.86 -1.92 112.91 117.46 1t6r h THR 64 Ca -0.00 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.08 1t6r h THR 64 Cb 0.40 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1t6r h THR 64 CO 0.02 0.08 0.30 -0.07 0.37 0.00 0.00 175.52 176.22 1t6r h LEU 65 N 0.41 0.37 -0.86 2.58 3.38 -1.17 0.22 115.31 120.24 1t6r h LEU 65 Ca 0.13 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1t6r h LEU 65 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1t6r h LEU 65 CO -0.05 0.25 -0.37 0.58 0.09 0.00 0.00 178.44 178.94 1t6r h VAL 66 N 0.43 1.30 0.31 1.22 2.07 -1.32 -1.20 116.25 119.06 1t6r h VAL 66 Ca 0.19 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1t6r h VAL 66 Cb 0.20 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1t6r h VAL 66 CO -0.05 0.45 -0.15 0.58 0.02 0.00 0.00 177.57 178.43 1t6r h VAL 67 N 0.33 0.72 -0.95 2.57 2.07 -0.36 -2.81 116.25 117.81 1t6r h VAL 67 Ca 0.03 -0.28 0.17 0.00 0.82 0.00 0.00 66.70 67.44 1t6r h VAL 67 Cb 0.81 0.88 -0.10 0.00 -1.52 0.00 0.00 31.29 31.35 1t6r h VAL 67 CO 0.06 0.06 0.55 0.40 0.02 0.00 0.00 177.57 178.67 1t6r h ILE 68 N -0.57 0.73 0.40 4.57 1.08 -0.77 -0.87 117.51 122.08 1t6r h ILE 68 Ca -0.04 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.16 1t6r h ILE 68 Cb 0.42 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1t6r h ILE 68 CO 0.07 0.13 -0.19 0.25 -0.69 0.00 0.00 178.15 177.72 1t6r h LEU 69 N 0.74 -0.45 -0.99 1.44 7.12 -1.21 -1.22 115.31 120.73 1t6r h LEU 69 Ca 0.54 -0.05 0.26 0.00 0.13 0.00 0.00 57.88 58.75 1t6r h LEU 69 Cb 0.79 0.12 -0.13 0.00 -0.53 0.00 0.00 40.66 40.90 1t6r h LEU 69 CO -0.37 -0.23 0.56 0.11 -0.13 0.00 0.00 178.44 178.38 1t6r h LYS 70 N -0.65 0.49 -0.40 1.25 6.56 -0.93 -0.43 116.57 122.46 1t6r h LYS 70 Ca -0.05 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.47 1t6r h LYS 70 Cb 0.47 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 32.00 1t6r h LYS 70 CO 0.09 0.33 0.13 0.22 -2.06 0.00 0.00 179.45 178.15 1t6r h ASP 71 N 0.51 0.59 -0.23 0.86 1.82 -0.82 0.38 116.42 119.53 1t6r h ASP 71 Ca 0.65 -0.20 0.06 0.00 -0.39 0.00 0.00 57.03 57.14 1t6r h ASP 71 Cb 1.29 -0.15 -0.06 0.00 0.68 0.00 0.00 39.33 41.09 1t6r h ASP 71 CO -0.51 0.64 -0.17 0.00 -1.61 0.00 0.00 179.24 177.59 1t6r h ALA 72 N 0.97 -0.01 -0.12 -0.78 0.00 0.08 0.30 119.26 119.70 1t6r h ALA 72 Ca 0.13 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1t6r h ALA 72 Cb 0.26 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1t6r h ALA 72 CO -0.00 -0.59 -0.53 0.87 0.00 0.00 0.00 179.25 179.00 1t6r h LYS 73 N -0.16 0.34 0.34 0.00 1.79 -0.95 0.26 116.57 118.19 1t6r h LYS 73 Ca 0.13 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1t6r h LYS 73 Cb 0.36 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 1t6r h LYS 73 CO -0.33 0.79 -0.46 0.82 -1.08 0.00 0.00 179.45 179.19 1t6r h ILE 74 N 0.27 0.00 0.00 1.86 2.04 -0.68 -2.79 117.51 118.21 1t6r h ILE 74 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1t6r h ILE 74 Cb 1.02 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1t6r h ILE 74 CO 0.09 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.83 1t6r n ASN 75 N -5.16 0.00 -2.59 1.72 3.02 0.07 -4.91 115.26 107.41 1t6r n ASN 75 Ca -0.10 0.11 -0.10 0.00 -0.03 0.00 0.00 54.58 54.46 1t6r n ASN 75 Cb 0.40 -0.32 0.05 0.00 -0.61 0.00 0.00 39.78 39.29 1t6r n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t6r n GLY 76 N 0.31 -0.35 3.41 7.41 0.00 0.41 -5.04 105.19 111.34 1t6r n GLY 76 Ca 0.08 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 1t6r n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6r s LYS 77 N -4.00 1.44 -0.59 1.61 0.00 0.63 -4.98 119.74 113.86 1t6r s LYS 77 Ca 0.25 -1.48 -0.14 0.00 0.00 0.00 0.00 55.97 54.61 1t6r s LYS 77 Cb -0.03 0.38 0.15 0.00 0.00 0.00 0.00 37.83 38.33 1t6r s LYS 77 CO 0.46 -0.55 0.52 -2.00 0.00 0.00 0.00 175.35 173.79 1t6r s GLU 78 N -3.97 3.00 -0.24 1.78 2.12 0.02 -4.16 118.70 117.25 1t6r s GLU 78 Ca 0.31 -1.91 -0.24 0.00 0.36 0.00 0.00 54.97 53.49 1t6r s GLU 78 Cb 0.03 -4.23 -0.01 0.00 0.26 0.00 0.00 34.13 30.17 1t6r s GLU 78 CO 0.12 -1.29 0.80 0.12 -0.54 0.00 0.00 175.26 174.47 1t6r s PHE 79 N 1.19 3.31 0.16 5.30 5.36 -1.26 -1.08 117.98 130.96 1t6r s PHE 79 Ca 0.07 1.09 0.05 0.00 -0.96 0.00 0.00 56.93 57.19 1t6r s PHE 79 Cb -0.25 -3.02 -0.05 0.00 -0.34 0.00 0.00 43.02 39.37 1t6r s PHE 79 CO -0.00 -0.38 -0.11 0.42 -1.46 0.00 0.00 175.22 173.69 1t6r s ILE 80 N 2.76 1.29 0.41 3.12 1.01 -0.05 -4.55 121.20 125.18 1t6r s ILE 80 Ca 0.34 -2.09 0.07 0.00 0.00 0.00 0.00 60.65 58.96 1t6r s ILE 80 Cb -0.15 -1.92 -0.08 0.00 0.01 0.00 0.00 42.46 40.32 1t6r s ILE 80 CO 0.08 -0.69 0.01 -0.76 0.00 0.00 0.00 174.94 173.57 1t6r s LEU 81 N -3.21 2.86 0.17 2.97 1.43 -1.21 -0.97 118.68 120.72 1t6r s LEU 81 Ca 0.19 -1.37 -0.18 0.00 -1.03 0.00 0.00 54.13 51.73 1t6r s LEU 81 Cb 0.02 -0.88 0.04 0.00 0.03 0.00 0.00 46.19 45.40 1t6r s LEU 81 CO 0.02 -0.45 0.51 -0.55 0.23 0.00 0.00 176.35 176.11 1t6r s SER 82 N -3.70 -0.32 -1.26 2.29 0.15 0.39 -0.63 113.70 110.62 1t6r s SER 82 Ca 0.35 -0.33 -0.05 0.00 0.70 0.00 0.00 55.95 56.62 1t6r s SER 82 Cb 0.10 0.56 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 1t6r s SER 82 CO 0.18 -0.98 1.09 -1.20 1.20 0.00 0.00 173.24 173.52 1t6r n SER 83 N -0.32 -4.63 -4.56 5.45 7.64 -1.19 -0.75 113.62 115.26 1t6r n SER 83 Ca -0.13 -0.56 -0.38 0.00 1.01 0.00 0.00 58.87 58.82 1t6r n SER 83 Cb 0.63 -4.95 -0.03 0.00 -1.01 0.00 0.00 64.21 58.85 1t6r n SER 83 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1t6r s LEU 84 N -6.80 3.41 0.92 -3.43 1.43 -1.26 -2.66 118.68 110.29 1t6r s LEU 84 Ca 0.35 1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 54.54 1t6r s LEU 84 Cb -0.15 -2.73 0.15 0.00 0.03 0.00 0.00 46.19 43.49 1t6r s LEU 84 CO 0.71 -2.65 1.09 -0.54 0.23 0.00 0.00 176.35 175.19 1t6r s LYS 85 N 7.77 1.01 0.39 1.70 1.02 -1.26 -4.60 119.74 125.77 1t6r s LYS 85 Ca 0.96 0.97 0.13 0.00 0.02 0.00 0.00 55.97 58.05 1t6r s LYS 85 Cb -0.20 -1.77 0.78 0.00 -0.52 0.00 0.00 37.83 36.12 1t6r s LYS 85 CO 0.28 -2.45 1.86 1.05 -0.92 0.00 0.00 175.35 175.16 1t6r h GLU 86 N -1.71 0.00 0.05 1.68 -0.00 -1.93 0.13 114.58 112.79 1t6r h GLU 86 Ca -0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.86 1t6r h GLU 86 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.03 1t6r h GLU 86 CO 0.52 0.34 -0.02 1.03 -0.00 0.00 0.00 179.01 180.87 1t6r h SER 87 N 0.00 -0.06 -0.10 3.06 0.87 -1.91 -3.33 113.55 112.08 1t6r h SER 87 Ca -0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1t6r h SER 87 Cb 0.60 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.51 1t6r h SER 87 CO 0.04 -0.01 -0.49 0.40 -0.53 0.00 0.00 176.83 176.24 1t6r h ILE 88 N -0.13 0.06 -0.08 2.23 1.08 -1.76 -1.88 117.51 117.03 1t6r h ILE 88 Ca -0.01 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.47 1t6r h ILE 88 Cb 0.05 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 33.85 1t6r h ILE 88 CO 0.01 0.00 -0.05 -0.24 -0.69 0.00 0.00 178.15 177.18 1t6r n SER 89 N -5.44 -0.08 -0.34 1.72 2.88 0.42 -0.36 113.62 112.41 1t6r n SER 89 Ca -0.05 0.63 0.08 0.00 -1.33 0.00 0.00 58.87 58.20 1t6r n SER 89 Cb 0.38 -0.26 0.25 0.00 -0.75 0.00 0.00 64.21 63.82 1t6r n SER 89 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1t6r h ARG 90 N 0.00 0.81 -0.39 -1.46 1.12 -1.47 -1.74 114.38 111.26 1t6r h ARG 90 Ca 0.01 -0.05 -0.10 0.00 -1.11 0.00 0.00 59.98 58.73 1t6r h ARG 90 Cb 0.03 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 29.79 1t6r h ARG 90 CO -0.08 0.53 -0.18 0.82 -3.11 0.00 0.00 179.97 177.96 1t6r h ILE 91 N 0.83 1.26 -0.49 1.20 2.04 -0.32 -0.60 117.51 121.43 1t6r h ILE 91 Ca 0.50 -1.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1t6r h ILE 91 Cb 0.61 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1t6r h ILE 91 CO -0.31 0.42 0.20 -0.07 0.00 0.00 0.00 178.15 178.38 1t6r h LEU 92 N 0.65 0.68 -1.68 1.44 -0.00 -0.35 -2.15 115.31 113.90 1t6r h LEU 92 Ca 0.10 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1t6r h LEU 92 Cb 0.66 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1t6r h LEU 92 CO 0.05 0.67 0.00 0.11 -0.00 0.00 0.00 178.44 179.26 1t6r h LYS 93 N 0.66 0.00 0.75 1.13 6.56 -1.13 -1.07 116.57 123.46 1t6r h LYS 93 Ca 0.16 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.72 1t6r h LYS 93 Cb 0.20 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.87 1t6r h LYS 93 CO -0.01 0.00 -0.36 -0.07 -2.06 0.00 0.00 179.45 176.95 1t6r h LEU 94 N 0.00 -0.85 0.00 2.94 4.07 -0.44 -2.88 115.31 118.15 1t6r h LEU 94 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1t6r h LEU 94 Cb 0.40 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1t6r h LEU 94 CO 0.00 -0.58 0.00 0.35 -1.08 0.00 0.00 178.44 177.13 1t6r n THR 95 N -4.87 0.00 -3.29 0.22 -2.24 -1.21 -4.86 114.28 98.04 1t6r n THR 95 Ca -0.12 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.43 1t6r n THR 95 Cb 0.39 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1t6r n THR 95 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t6r n HIS 96 N -0.65 -1.77 0.28 4.78 8.25 -1.09 -4.85 115.22 120.17 1t6r n HIS 96 Ca 0.05 0.44 0.15 0.00 -0.26 0.00 0.00 57.72 58.10 1t6r n HIS 96 Cb 0.02 -2.97 0.46 0.00 1.12 0.00 0.00 29.99 28.62 1t6r n HIS 96 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1t6r h LEU 97 N -0.91 0.00 0.00 2.41 3.38 -1.48 -3.27 115.31 115.44 1t6r h LEU 97 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1t6r h LEU 97 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1t6r h LEU 97 CO 0.52 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.15 1t6r n ASP 98 N -3.00 0.00 -0.00 -0.43 5.75 -1.22 -0.65 116.55 116.99 1t6r n ASP 98 Ca 0.02 0.40 0.06 0.00 -0.01 0.00 0.00 54.79 55.26 1t6r n ASP 98 Cb 0.40 -0.43 -0.07 0.00 -1.03 0.00 0.00 41.12 39.98 1t6r n ASP 98 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1t6r n LYS 99 N -1.43 2.63 -0.08 0.11 2.85 -1.23 -3.82 118.16 117.19 1t6r n LYS 99 Ca 0.02 -0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.20 1t6r n LYS 99 Cb 0.07 -1.12 -0.03 0.00 -0.65 0.00 0.00 35.03 33.30 1t6r n LYS 99 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1t6r n ILE 100 N -1.31 1.46 0.13 0.58 5.41 0.17 -4.31 119.36 121.49 1t6r n ILE 100 Ca 0.02 0.16 0.04 0.00 1.00 0.00 0.00 62.75 63.97 1t6r n ILE 100 Cb 0.21 -2.35 0.20 0.00 -0.71 0.00 0.00 39.64 36.99 1t6r n ILE 100 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1t6r n PHE 101 N -4.53 1.00 -1.95 1.39 3.72 -0.35 -5.03 117.46 111.71 1t6r n PHE 101 Ca -0.12 -0.36 0.00 0.00 -0.05 0.00 0.00 57.45 56.92 1t6r n PHE 101 Cb 0.41 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1t6r n PHE 101 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1t6r n LYS 102 N 0.36 0.00 -3.57 -1.08 4.81 -1.25 -3.28 118.16 114.15 1t6r n LYS 102 Ca 0.14 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.51 1t6r n LYS 102 Cb 0.68 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.70 1t6r n LYS 102 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1t6r s ILE 103 N 0.00 0.00 -0.27 3.15 1.01 -1.25 -4.34 121.20 119.50 1t6r s ILE 103 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 1t6r s ILE 103 Cb 0.00 -1.00 0.13 0.00 0.01 0.00 0.00 42.46 41.60 1t6r s ILE 103 CO 0.00 0.00 0.33 0.42 0.00 0.00 0.00 174.94 175.69 1t6r s THR 104 N -2.19 -0.49 0.51 2.92 -4.23 0.20 -4.92 115.64 107.43 1t6r s THR 104 Ca 0.05 -0.28 0.27 0.00 -1.18 0.00 0.00 61.69 60.55 1t6r s THR 104 Cb -0.01 -0.90 0.32 0.00 1.34 0.00 0.00 72.50 73.25 1t6r s THR 104 CO -0.05 -0.30 2.16 -0.78 -0.54 0.00 0.00 174.62 175.11 1t6r h ASP 105 N 8.23 0.00 -4.52 3.99 1.82 -1.94 -3.16 116.42 120.84 1t6r h ASP 105 Ca -0.14 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.19 1t6r h ASP 105 Cb 1.12 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 40.94 1t6r h ASP 105 CO 0.30 0.06 -0.73 0.42 -1.61 0.00 0.00 179.24 177.67 1t6r s THR 106 N -4.46 0.83 0.37 2.25 -4.23 -1.26 -3.74 115.64 105.40 1t6r s THR 106 Ca -0.04 -1.48 0.20 0.00 -1.18 0.00 0.00 61.69 59.19 1t6r s THR 106 Cb 0.14 -1.16 0.20 0.00 1.34 0.00 0.00 72.50 73.03 1t6r s THR 106 CO 0.58 -0.50 1.95 1.62 -0.54 0.00 0.00 174.62 177.72 1t6r h VAL 107 N 3.84 0.88 0.00 2.29 3.04 -2.00 -0.87 116.25 123.43 1t6r h VAL 107 Ca -0.37 -0.87 0.00 0.00 -1.01 0.00 0.00 66.70 64.45 1t6r h VAL 107 Cb 1.19 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 1t6r h VAL 107 CO 0.49 0.22 0.00 -0.33 -1.01 0.00 0.00 177.57 176.94 1t6r h GLU 108 N 0.00 0.00 0.00 4.17 5.08 -1.96 -2.39 114.58 119.48 1t6r h GLU 108 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1t6r h GLU 108 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1t6r h GLU 108 CO 0.03 0.00 -0.10 0.39 -1.00 0.00 0.00 179.01 178.33 1t6r n GLU 109 N -2.54 0.03 0.00 2.33 -0.58 -0.33 -5.16 120.64 114.39 1t6r n GLU 109 Ca 0.02 0.02 0.09 0.00 -0.42 0.00 0.00 57.16 56.87 1t6r n GLU 109 Cb 0.29 -1.53 0.08 0.00 -0.57 0.00 0.00 31.44 29.71 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65